<p>Cu-Ni-Cr alloys possess a favorable combination of properties including superior corrosion and wear resistance and adequate levels of ductility. One of the key features of these alloys contributing to their mechanical performance is the tendency for compositional segregation, where hard precipitates form within a softer matrix resulting in a strengthening effect. This study presents a rapid and practical multiscale integrated computational materials engineering (ICME) framework integrating Monte Carlo (MC), Molecular Dynamics (MD), and Finite Element (FE) simulations for investigating the effect of precipitate strengthening on the tensile and bending response of Cu<sub>68</sub>Ni<sub>30</sub>Cr<sub>2</sub> alloy. MC simulations were employed to predict the compositional segregation in the alloy, and MD simulations were utilized to investigate the effect of precipitate strengthening on yield stress. The observed trends were found to be aligned with experimental observations presented in literature. An average value for yield stress was estimated considering all the possible dislocation-interaction cases, and this value was used as a benchmark to scale the results of MD simulations to match existing experimental data for assessing microscopic impact of the precipitates on alloy strength. FE analysis was then used for post-yield analysis of mechanical response through simulating both uniaxial tensile and three-point bending tests. FE simulations were validated via reproducing experimental data from literature using a multilinear plasticity model. However, it was shown that a bilinear isotropic hardening plasticity model can accurately predict the plastic behavior of the alloy. Overall, the proposed framework offers a rapid and practical approach for bridging atomistic mechanisms and macroscale mechanics.</p> Graphical Abstract <p></p>

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Multiscale Computational Approach for Capturing the Effect of Microstructural Heterogeneity on the Mechanical Response in Cu-Ni-Cr Alloy

  • Hamid Sharifi,
  • Pouria Nourian,
  • Collin D. Wick,
  • M. Shafiqur Rahman

摘要

Cu-Ni-Cr alloys possess a favorable combination of properties including superior corrosion and wear resistance and adequate levels of ductility. One of the key features of these alloys contributing to their mechanical performance is the tendency for compositional segregation, where hard precipitates form within a softer matrix resulting in a strengthening effect. This study presents a rapid and practical multiscale integrated computational materials engineering (ICME) framework integrating Monte Carlo (MC), Molecular Dynamics (MD), and Finite Element (FE) simulations for investigating the effect of precipitate strengthening on the tensile and bending response of Cu68Ni30Cr2 alloy. MC simulations were employed to predict the compositional segregation in the alloy, and MD simulations were utilized to investigate the effect of precipitate strengthening on yield stress. The observed trends were found to be aligned with experimental observations presented in literature. An average value for yield stress was estimated considering all the possible dislocation-interaction cases, and this value was used as a benchmark to scale the results of MD simulations to match existing experimental data for assessing microscopic impact of the precipitates on alloy strength. FE analysis was then used for post-yield analysis of mechanical response through simulating both uniaxial tensile and three-point bending tests. FE simulations were validated via reproducing experimental data from literature using a multilinear plasticity model. However, it was shown that a bilinear isotropic hardening plasticity model can accurately predict the plastic behavior of the alloy. Overall, the proposed framework offers a rapid and practical approach for bridging atomistic mechanisms and macroscale mechanics.

Graphical Abstract